2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-4,6-diphenyl-nicotinonitrile Formula: C27H20N2O2S MolecularWeight: 436.5249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H20N2O2S/c28-16-23-22(19-9-3-1-4-10-19)15-24(20-11-5-2-6-12-20)29-27(23)32-18-21-17-30-25-13-7-8-14-26(25)31-21/h1-15,21H,17-18H2